SCHEMBL20985100

SCHEMBL20985100

CC(C)C(C)C.CCC(=N)N

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 1/20 0.38
SPHK1 Q9NYA1 1/20 0.38
NOS3 P29474 5/20 0.36
NOS1 P29475 5/20 0.36
NOS2 P35228 5/20 0.36
TSHR P16473 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
BLM P54132 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPK1 P28482 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Isobutane SCHEMBL1229517 0.87 SPHK2 (0.38) SPHK2SPHK1NOS3NOS1NOS2
SCHEMBL12181 0.86
Water SCHEMBL30816099 0.82
Hydrochloric Acid SCHEMBL2689253 0.82
Hydrochloric Acid SCHEMBL166054 0.82
Hydrazine SCHEMBL10430760 0.82
Iodide SCHEMBL30575029 0.82
SCHEMBL21351628 0.73
Bicarbonate SCHEMBL6620515 0.73
Acetic Acid SCHEMBL21807691 0.71

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10913754-B2 Lanthanum compound and methods of forming thin film and integrated circuit device using the lanthanum compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2021-02-09 US disclosed
US-20190152996-A1 LANTHANUM COMPOUND AND METHODS OF FORMING THIN FILM AND INTEGRATED CIRCUIT DEVICE USING THE LANTHANUM COMPOUND ADEKA CORPORATION (JP) 2019-05-23 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190152996-A1 LANTHANUM COMPOUND AND METHODS OF FORMING THIN FILM AND INTEGRATED CIRCUIT DEVICE USING THE LANTHANUM COMPOUND C5, C9, C1R SPHK2 1898/4885SPHK1 1754/4885NOS3 1687/4885
US-10913754-B2 Lanthanum compound and methods of forming thin film and integrated circuit device using the lanthanum compound C5, C9, C1R SPHK2 1898/4885SPHK1 1754/4885NOS3 1687/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.